Content for NMR-STAR saveframe, "assigned_chem_shift_list_1_2"
save_assigned_chem_shift_list_1_2
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1_2
_Assigned_chem_shift_list.Entry_ID 18600
_Assigned_chem_shift_list.ID 2
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $Standard
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1
_Assigned_chem_shift_list.Chem_shift_1H_err .
_Assigned_chem_shift_list.Chem_shift_13C_err .
_Assigned_chem_shift_list.Chem_shift_15N_err .
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details .
_Assigned_chem_shift_list.Text_data_format .
_Assigned_chem_shift_list.Text_data .
loop_
_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Sample_state
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
1 '2D 1H-13C HSQC/HMQC' 1 $13C_15N isotropic 18600 2
2 '2D 1H-13C HSQC/HMQC' 1 $13C_15N isotropic 18600 2
3 '3D HNCO' 1 $13C_15N isotropic 18600 2
4 'HNcaCo (HNcaCO)' 1 $13C_15N isotropic 18600 2
5 'HNcoCaCb (H[N[co[{CA|ca[C]}]]])' 1 $13C_15N isotropic 18600 2
6 '3D HNCACB' 1 $13C_15N isotropic 18600 2
7 '2D 1H-1H NOESY' 1 $13C_15N isotropic 18600 2
8 '2D 1H-1H TOCSY' 1 $13C_15N isotropic 18600 2
9 'HccoNH (HccoNH)' 1 $13C_15N isotropic 18600 2
10 '3D C(CO)NH' 1 $13C_15N isotropic 18600 2
11 '2D 1H-15N HSQC/HMQC' 1 $13C_15N isotropic 18600 2
12 '3D 1H-15N NOESY' 1 $13C_15N isotropic 18600 2
13 '3D 1H-13C NOESY' 1 $13C_15N isotropic 18600 2
14 '3D 1H-13C NOESY' 1 $13C_15N isotropic 18600 2
15 '3D HCACO' 2 $13C_15N-D2O isotropic 18600 2
17 '3D 1H-13C NOESY' 2 $13C_15N-D2O isotropic 18600 2
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_ID
_Atom_chem_shift.Comp_index_ID
_Atom_chem_shift.Seq_ID
_Atom_chem_shift.Comp_ID
_Atom_chem_shift.Atom_ID
_Atom_chem_shift.Atom_type
_Atom_chem_shift.Atom_isotope_number
_Atom_chem_shift.Val
_Atom_chem_shift.Val_err
_Atom_chem_shift.Assign_fig_of_merit
_Atom_chem_shift.Ambiguity_code
_Atom_chem_shift.Ambiguity_set_ID
_Atom_chem_shift.Occupancy
_Atom_chem_shift.Resonance_ID
_Atom_chem_shift.Auth_entity_assembly_ID
_Atom_chem_shift.Auth_asym_ID
_Atom_chem_shift.Auth_seq_ID
_Atom_chem_shift.Auth_comp_ID
_Atom_chem_shift.Auth_atom_ID
_Atom_chem_shift.Details
_Atom_chem_shift.Entry_ID
_Atom_chem_shift.Assigned_chem_shift_list_ID
1 . 1 1 1 1 GLY HA2 H 1 4.004 0.004 . 1 . . . . . 1 GLY HA2 . 18600 2
2 . 1 1 1 1 GLY HA3 H 1 4.004 0.004 . 1 . . . . . 1 GLY HA3 . 18600 2
3 . 1 1 1 1 GLY C C 13 170.304 . . 1 . . . . . 1 GLY C . 18600 2
4 . 1 1 1 1 GLY CA C 13 43.522 0.073 . 1 . . . . . 1 GLY CA . 18600 2
5 . 1 1 2 2 THR H H 1 8.617 0.005 . 1 . . . . . 2 THR H . 18600 2
6 . 1 1 2 2 THR HA H 1 4.431 0.005 . 1 . . . . . 2 THR HA . 18600 2
7 . 1 1 2 2 THR HB H 1 4.232 0.015 . 1 . . . . . 2 THR HB . 18600 2
8 . 1 1 2 2 THR HG21 H 1 1.252 0.004 . 1 . . . . . 2 THR HG21 . 18600 2
9 . 1 1 2 2 THR HG22 H 1 1.252 0.004 . 1 . . . . . 2 THR HG22 . 18600 2
10 . 1 1 2 2 THR HG23 H 1 1.252 0.004 . 1 . . . . . 2 THR HG23 . 18600 2
11 . 1 1 2 2 THR C C 13 174.190 0.023 . 1 . . . . . 2 THR C . 18600 2
12 . 1 1 2 2 THR CA C 13 62.363 0.095 . 1 . . . . . 2 THR CA . 18600 2
13 . 1 1 2 2 THR CB C 13 69.878 0.032 . 1 . . . . . 2 THR CB . 18600 2
14 . 1 1 2 2 THR CG2 C 13 21.822 0.062 . 1 . . . . . 2 THR CG2 . 18600 2
15 . 1 1 2 2 THR N N 15 114.479 0.023 . 1 . . . . . 2 THR N . 18600 2
16 . 1 1 3 3 TYR H H 1 8.466 0.004 . 1 . . . . . 3 TYR H . 18600 2
17 . 1 1 3 3 TYR HA H 1 4.800 0.005 . 1 . . . . . 3 TYR HA . 18600 2
18 . 1 1 3 3 TYR HB2 H 1 3.111 0.007 . 2 . . . . . 3 TYR HB2 . 18600 2
19 . 1 1 3 3 TYR HB3 H 1 3.160 0.002 . 2 . . . . . 3 TYR HB3 . 18600 2
20 . 1 1 3 3 TYR HD1 H 1 7.183 0.004 . 3 . . . . . 3 TYR HD1 . 18600 2
21 . 1 1 3 3 TYR HD2 H 1 7.183 0.004 . 3 . . . . . 3 TYR HD2 . 18600 2
22 . 1 1 3 3 TYR HE1 H 1 6.811 0.007 . 3 . . . . . 3 TYR HE1 . 18600 2
23 . 1 1 3 3 TYR HE2 H 1 6.811 0.007 . 3 . . . . . 3 TYR HE2 . 18600 2
24 . 1 1 3 3 TYR C C 13 174.368 0.014 . 1 . . . . . 3 TYR C . 18600 2
25 . 1 1 3 3 TYR CA C 13 58.215 0.058 . 1 . . . . . 3 TYR CA . 18600 2
26 . 1 1 3 3 TYR CB C 13 39.278 0.076 . 1 . . . . . 3 TYR CB . 18600 2
27 . 1 1 3 3 TYR CD1 C 13 133.125 . . 3 . . . . . 3 TYR CD1 . 18600 2
28 . 1 1 3 3 TYR CD2 C 13 133.125 . . 3 . . . . . 3 TYR CD2 . 18600 2
29 . 1 1 3 3 TYR CE1 C 13 118.342 . . 3 . . . . . 3 TYR CE1 . 18600 2
30 . 1 1 3 3 TYR CE2 C 13 118.342 . . 3 . . . . . 3 TYR CE2 . 18600 2
31 . 1 1 3 3 TYR N N 15 122.873 0.043 . 1 . . . . . 3 TYR N . 18600 2
32 . 1 1 4 4 CYS H H 1 7.736 0.005 . 1 . . . . . 4 CYS H . 18600 2
33 . 1 1 4 4 CYS HA H 1 4.865 0.002 . 1 . . . . . 4 CYS HA . 18600 2
34 . 1 1 4 4 CYS HB2 H 1 3.048 0.006 . 1 . . . . . 4 CYS HB2 . 18600 2
35 . 1 1 4 4 CYS HB3 H 1 3.048 0.006 . 1 . . . . . 4 CYS HB3 . 18600 2
36 . 1 1 4 4 CYS C C 13 172.238 0.015 . 1 . . . . . 4 CYS C . 18600 2
37 . 1 1 4 4 CYS CA C 13 53.530 0.035 . 1 . . . . . 4 CYS CA . 18600 2
38 . 1 1 4 4 CYS CB C 13 42.272 0.034 . 1 . . . . . 4 CYS CB . 18600 2
39 . 1 1 4 4 CYS N N 15 119.068 0.05 . 1 . . . . . 4 CYS N . 18600 2
40 . 1 1 5 5 ILE H H 1 9.027 0.007 . 1 . . . . . 5 ILE H . 18600 2
41 . 1 1 5 5 ILE HA H 1 3.985 0.006 . 1 . . . . . 5 ILE HA . 18600 2
42 . 1 1 5 5 ILE HB H 1 1.805 0.004 . 1 . . . . . 5 ILE HB . 18600 2
43 . 1 1 5 5 ILE HG12 H 1 1.026 0.006 . 2 . . . . . 5 ILE HG12 . 18600 2
44 . 1 1 5 5 ILE HG13 H 1 1.655 0.002 . 2 . . . . . 5 ILE HG13 . 18600 2
45 . 1 1 5 5 ILE HG21 H 1 1.347 0.004 . 1 . . . . . 5 ILE HG21 . 18600 2
46 . 1 1 5 5 ILE HG22 H 1 1.347 0.004 . 1 . . . . . 5 ILE HG22 . 18600 2
47 . 1 1 5 5 ILE HG23 H 1 1.347 0.004 . 1 . . . . . 5 ILE HG23 . 18600 2
48 . 1 1 5 5 ILE HD11 H 1 0.883 0.008 . 1 . . . . . 5 ILE HD11 . 18600 2
49 . 1 1 5 5 ILE HD12 H 1 0.883 0.008 . 1 . . . . . 5 ILE HD12 . 18600 2
50 . 1 1 5 5 ILE HD13 H 1 0.883 0.008 . 1 . . . . . 5 ILE HD13 . 18600 2
51 . 1 1 5 5 ILE C C 13 175.022 0.008 . 1 . . . . . 5 ILE C . 18600 2
52 . 1 1 5 5 ILE CA C 13 63.098 0.071 . 1 . . . . . 5 ILE CA . 18600 2
53 . 1 1 5 5 ILE CB C 13 39.252 0.048 . 1 . . . . . 5 ILE CB . 18600 2
54 . 1 1 5 5 ILE CG1 C 13 27.802 0.025 . 1 . . . . . 5 ILE CG1 . 18600 2
55 . 1 1 5 5 ILE CG2 C 13 20.215 0.081 . 1 . . . . . 5 ILE CG2 . 18600 2
56 . 1 1 5 5 ILE CD1 C 13 15.124 0.005 . 1 . . . . . 5 ILE CD1 . 18600 2
57 . 1 1 5 5 ILE N N 15 121.287 0.059 . 1 . . . . . 5 ILE N . 18600 2
58 . 1 1 6 6 GLU H H 1 8.721 0.003 . 1 . . . . . 6 GLU H . 18600 2
59 . 1 1 6 6 GLU HA H 1 4.203 0.004 . 1 . . . . . 6 GLU HA . 18600 2
60 . 1 1 6 6 GLU HB2 H 1 2.337 0.004 . 2 . . . . . 6 GLU HB2 . 18600 2
61 . 1 1 6 6 GLU HB3 H 1 2.145 0.005 . 2 . . . . . 6 GLU HB3 . 18600 2
62 . 1 1 6 6 GLU HG2 H 1 2.624 0.005 . 2 . . . . . 6 GLU HG2 . 18600 2
63 . 1 1 6 6 GLU HG3 H 1 2.542 0.004 . 2 . . . . . 6 GLU HG3 . 18600 2
64 . 1 1 6 6 GLU C C 13 174.856 0.022 . 1 . . . . . 6 GLU C . 18600 2
65 . 1 1 6 6 GLU CA C 13 56.906 0.064 . 1 . . . . . 6 GLU CA . 18600 2
66 . 1 1 6 6 GLU CB C 13 31.235 0.038 . 1 . . . . . 6 GLU CB . 18600 2
67 . 1 1 6 6 GLU CG C 13 36.658 0.091 . 1 . . . . . 6 GLU CG . 18600 2
68 . 1 1 6 6 GLU CD C 13 181.918 0.029 . 1 . . . . . 6 GLU CD . 18600 2
69 . 1 1 6 6 GLU N N 15 128.487 0.051 . 1 . . . . . 6 GLU N . 18600 2
70 . 1 1 7 7 LEU H H 1 8.207 0.003 . 1 . . . . . 7 LEU H . 18600 2
71 . 1 1 7 7 LEU HA H 1 3.860 0.004 . 1 . . . . . 7 LEU HA . 18600 2
72 . 1 1 7 7 LEU HB2 H 1 1.557 0.006 . 2 . . . . . 7 LEU HB2 . 18600 2
73 . 1 1 7 7 LEU HB3 H 1 1.637 0.003 . 2 . . . . . 7 LEU HB3 . 18600 2
74 . 1 1 7 7 LEU HG H 1 1.572 0.001 . 1 . . . . . 7 LEU HG . 18600 2
75 . 1 1 7 7 LEU HD11 H 1 0.651 0.004 . 2 . . . . . 7 LEU HD11 . 18600 2
76 . 1 1 7 7 LEU HD12 H 1 0.651 0.004 . 2 . . . . . 7 LEU HD12 . 18600 2
77 . 1 1 7 7 LEU HD13 H 1 0.651 0.004 . 2 . . . . . 7 LEU HD13 . 18600 2
78 . 1 1 7 7 LEU HD21 H 1 0.594 0.004 . 2 . . . . . 7 LEU HD21 . 18600 2
79 . 1 1 7 7 LEU HD22 H 1 0.594 0.004 . 2 . . . . . 7 LEU HD22 . 18600 2
80 . 1 1 7 7 LEU HD23 H 1 0.594 0.004 . 2 . . . . . 7 LEU HD23 . 18600 2
81 . 1 1 7 7 LEU C C 13 178.447 0.016 . 1 . . . . . 7 LEU C . 18600 2
82 . 1 1 7 7 LEU CA C 13 56.608 0.022 . 1 . . . . . 7 LEU CA . 18600 2
83 . 1 1 7 7 LEU CB C 13 42.646 0.061 . 1 . . . . . 7 LEU CB . 18600 2
84 . 1 1 7 7 LEU CG C 13 26.529 0.055 . 1 . . . . . 7 LEU CG . 18600 2
85 . 1 1 7 7 LEU CD1 C 13 25.235 0.052 . 2 . . . . . 7 LEU CD1 . 18600 2
86 . 1 1 7 7 LEU CD2 C 13 24.486 0.085 . 2 . . . . . 7 LEU CD2 . 18600 2
87 . 1 1 7 7 LEU N N 15 119.606 0.064 . 1 . . . . . 7 LEU N . 18600 2
88 . 1 1 8 8 GLY H H 1 9.393 0.003 . 1 . . . . . 8 GLY H . 18600 2
89 . 1 1 8 8 GLY HA2 H 1 3.818 0.003 . 2 . . . . . 8 GLY HA2 . 18600 2
90 . 1 1 8 8 GLY HA3 H 1 4.434 0.006 . 2 . . . . . 8 GLY HA3 . 18600 2
91 . 1 1 8 8 GLY C C 13 174.195 0.01 . 1 . . . . . 8 GLY C . 18600 2
92 . 1 1 8 8 GLY CA C 13 45.294 0.045 . 1 . . . . . 8 GLY CA . 18600 2
93 . 1 1 8 8 GLY N N 15 112.709 0.058 . 1 . . . . . 8 GLY N . 18600 2
94 . 1 1 9 9 GLU H H 1 7.685 0.002 . 1 . . . . . 9 GLU H . 18600 2
95 . 1 1 9 9 GLU HA H 1 4.739 0.007 . 1 . . . . . 9 GLU HA . 18600 2
96 . 1 1 9 9 GLU HB2 H 1 2.317 0.004 . 2 . . . . . 9 GLU HB2 . 18600 2
97 . 1 1 9 9 GLU HB3 H 1 2.369 0.002 . 2 . . . . . 9 GLU HB3 . 18600 2
98 . 1 1 9 9 GLU HG2 H 1 2.229 0.005 . 2 . . . . . 9 GLU HG2 . 18600 2
99 . 1 1 9 9 GLU HG3 H 1 2.558 0.005 . 2 . . . . . 9 GLU HG3 . 18600 2
100 . 1 1 9 9 GLU C C 13 175.679 0.024 . 1 . . . . . 9 GLU C . 18600 2
101 . 1 1 9 9 GLU CA C 13 54.861 0.025 . 1 . . . . . 9 GLU CA . 18600 2
102 . 1 1 9 9 GLU CB C 13 30.933 0.042 . 1 . . . . . 9 GLU CB . 18600 2
103 . 1 1 9 9 GLU CG C 13 36.648 0.059 . 1 . . . . . 9 GLU CG . 18600 2
104 . 1 1 9 9 GLU CD C 13 184.243 0.006 . 1 . . . . . 9 GLU CD . 18600 2
105 . 1 1 9 9 GLU N N 15 119.191 0.044 . 1 . . . . . 9 GLU N . 18600 2
106 . 1 1 10 10 ARG H H 1 8.655 0.002 . 1 . . . . . 10 ARG H . 18600 2
107 . 1 1 10 10 ARG HA H 1 4.514 0.007 . 1 . . . . . 10 ARG HA . 18600 2
108 . 1 1 10 10 ARG HB2 H 1 1.865 0.003 . 1 . . . . . 10 ARG HB2 . 18600 2
109 . 1 1 10 10 ARG HB3 H 1 1.865 0.003 . 1 . . . . . 10 ARG HB3 . 18600 2
110 . 1 1 10 10 ARG HG2 H 1 1.557 0.003 . 2 . . . . . 10 ARG HG2 . 18600 2
111 . 1 1 10 10 ARG HG3 H 1 1.865 0.003 . 2 . . . . . 10 ARG HG3 . 18600 2
112 . 1 1 10 10 ARG HD2 H 1 3.161 0.011 . 2 . . . . . 10 ARG HD2 . 18600 2
113 . 1 1 10 10 ARG HD3 H 1 3.197 0.002 . 2 . . . . . 10 ARG HD3 . 18600 2
114 . 1 1 10 10 ARG C C 13 175.214 0.029 . 1 . . . . . 10 ARG C . 18600 2
115 . 1 1 10 10 ARG CA C 13 56.165 0.049 . 1 . . . . . 10 ARG CA . 18600 2
116 . 1 1 10 10 ARG CB C 13 31.192 0.04 . 1 . . . . . 10 ARG CB . 18600 2
117 . 1 1 10 10 ARG CG C 13 27.624 0.02 . 1 . . . . . 10 ARG CG . 18600 2
118 . 1 1 10 10 ARG CD C 13 43.454 0.009 . 1 . . . . . 10 ARG CD . 18600 2
119 . 1 1 10 10 ARG N N 15 119.620 0.047 . 1 . . . . . 10 ARG N . 18600 2
120 . 1 1 11 11 CYS H H 1 8.089 0.003 . 1 . . . . . 11 CYS H . 18600 2
121 . 1 1 11 11 CYS HA H 1 5.110 0.007 . 1 . . . . . 11 CYS HA . 18600 2
122 . 1 1 11 11 CYS HB2 H 1 3.061 0.004 . 2 . . . . . 11 CYS HB2 . 18600 2
123 . 1 1 11 11 CYS HB3 H 1 3.549 0.004 . 2 . . . . . 11 CYS HB3 . 18600 2
124 . 1 1 11 11 CYS C C 13 171.071 0.029 . 1 . . . . . 11 CYS C . 18600 2
125 . 1 1 11 11 CYS CA C 13 51.355 0.003 . 1 . . . . . 11 CYS CA . 18600 2
126 . 1 1 11 11 CYS CB C 13 48.335 0.052 . 1 . . . . . 11 CYS CB . 18600 2
127 . 1 1 11 11 CYS N N 15 116.069 0.041 . 1 . . . . . 11 CYS N . 18600 2
128 . 1 1 12 12 PRO HA H 1 4.345 0.012 . 1 . . . . . 12 PRO HA . 18600 2
129 . 1 1 12 12 PRO HB2 H 1 1.700 0.005 . 1 . . . . . 12 PRO HB2 . 18600 2
130 . 1 1 12 12 PRO HB3 H 1 1.700 0.005 . 1 . . . . . 12 PRO HB3 . 18600 2
131 . 1 1 12 12 PRO HG2 H 1 1.576 0.002 . 1 . . . . . 12 PRO HG2 . 18600 2
132 . 1 1 12 12 PRO HG3 H 1 1.576 0.002 . 1 . . . . . 12 PRO HG3 . 18600 2
133 . 1 1 12 12 PRO HD2 H 1 3.465 0.007 . 1 . . . . . 12 PRO HD2 . 18600 2
134 . 1 1 12 12 PRO HD3 H 1 3.465 0.007 . 1 . . . . . 12 PRO HD3 . 18600 2
135 . 1 1 12 12 PRO C C 13 174.176 0.021 . 1 . . . . . 12 PRO C . 18600 2
136 . 1 1 12 12 PRO CA C 13 61.297 0.048 . 1 . . . . . 12 PRO CA . 18600 2
137 . 1 1 12 12 PRO CB C 13 31.574 0.053 . 1 . . . . . 12 PRO CB . 18600 2
138 . 1 1 12 12 PRO CG C 13 26.742 . . 1 . . . . . 12 PRO CG . 18600 2
139 . 1 1 12 12 PRO CD C 13 49.496 0.026 . 1 . . . . . 12 PRO CD . 18600 2
140 . 1 1 13 13 ASN H H 1 8.003 0.004 . 1 . . . . . 13 ASN H . 18600 2
141 . 1 1 13 13 ASN HA H 1 2.803 0.007 . 1 . . . . . 13 ASN HA . 18600 2
142 . 1 1 13 13 ASN HB2 H 1 2.610 0.004 . 2 . . . . . 13 ASN HB2 . 18600 2
143 . 1 1 13 13 ASN HB3 H 1 2.759 0.011 . 2 . . . . . 13 ASN HB3 . 18600 2
144 . 1 1 13 13 ASN HD21 H 1 7.076 0.006 . 1 . . . . . 13 ASN HD21 . 18600 2
145 . 1 1 13 13 ASN HD22 H 1 8.073 0.007 . 1 . . . . . 13 ASN HD22 . 18600 2
146 . 1 1 13 13 ASN C C 13 176.539 0.073 . 1 . . . . . 13 ASN C . 18600 2
147 . 1 1 13 13 ASN CA C 13 50.780 0.012 . 1 . . . . . 13 ASN CA . 18600 2
148 . 1 1 13 13 ASN CB C 13 38.760 0.034 . 1 . . . . . 13 ASN CB . 18600 2
149 . 1 1 13 13 ASN CG C 13 176.542 0.001 . 1 . . . . . 13 ASN CG . 18600 2
150 . 1 1 13 13 ASN N N 15 117.280 0.062 . 1 . . . . . 13 ASN N . 18600 2
151 . 1 1 13 13 ASN ND2 N 15 113.718 0.09 . 1 . . . . . 13 ASN ND2 . 18600 2
152 . 1 1 14 14 PRO HA H 1 4.533 0.01 . 1 . . . . . 14 PRO HA . 18600 2
153 . 1 1 14 14 PRO HB2 H 1 1.922 0.011 . 2 . . . . . 14 PRO HB2 . 18600 2
154 . 1 1 14 14 PRO HB3 H 1 2.207 0.004 . 2 . . . . . 14 PRO HB3 . 18600 2
155 . 1 1 14 14 PRO HG2 H 1 1.847 0.003 . 2 . . . . . 14 PRO HG2 . 18600 2
156 . 1 1 14 14 PRO HG3 H 1 1.789 0.003 . 2 . . . . . 14 PRO HG3 . 18600 2
157 . 1 1 14 14 PRO HD2 H 1 2.839 0.005 . 2 . . . . . 14 PRO HD2 . 18600 2
158 . 1 1 14 14 PRO HD3 H 1 2.972 0.005 . 2 . . . . . 14 PRO HD3 . 18600 2
159 . 1 1 14 14 PRO C C 13 178.079 0.007 . 1 . . . . . 14 PRO C . 18600 2
160 . 1 1 14 14 PRO CA C 13 63.856 0.02 . 1 . . . . . 14 PRO CA . 18600 2
161 . 1 1 14 14 PRO CB C 13 31.098 0.078 . 1 . . . . . 14 PRO CB . 18600 2
162 . 1 1 14 14 PRO CG C 13 26.226 0.021 . 1 . . . . . 14 PRO CG . 18600 2
163 . 1 1 14 14 PRO CD C 13 51.625 0.029 . 1 . . . . . 14 PRO CD . 18600 2
164 . 1 1 15 15 ARG H H 1 8.262 0.003 . 1 . . . . . 15 ARG H . 18600 2
165 . 1 1 15 15 ARG HA H 1 4.191 0.003 . 1 . . . . . 15 ARG HA . 18600 2
166 . 1 1 15 15 ARG HB2 H 1 1.906 0.003 . 2 . . . . . 15 ARG HB2 . 18600 2
167 . 1 1 15 15 ARG HB3 H 1 1.761 0.003 . 2 . . . . . 15 ARG HB3 . 18600 2
168 . 1 1 15 15 ARG HG2 H 1 1.708 0.003 . 2 . . . . . 15 ARG HG2 . 18600 2
169 . 1 1 15 15 ARG HG3 H 1 1.603 0.001 . 2 . . . . . 15 ARG HG3 . 18600 2
170 . 1 1 15 15 ARG HD2 H 1 3.262 0.002 . 2 . . . . . 15 ARG HD2 . 18600 2
171 . 1 1 15 15 ARG HD3 H 1 3.302 0.002 . 2 . . . . . 15 ARG HD3 . 18600 2
172 . 1 1 15 15 ARG C C 13 177.765 0.024 . 1 . . . . . 15 ARG C . 18600 2
173 . 1 1 15 15 ARG CA C 13 59.011 0.085 . 1 . . . . . 15 ARG CA . 18600 2
174 . 1 1 15 15 ARG CB C 13 29.621 0.055 . 1 . . . . . 15 ARG CB . 18600 2
175 . 1 1 15 15 ARG CG C 13 27.054 0.027 . 1 . . . . . 15 ARG CG . 18600 2
176 . 1 1 15 15 ARG CD C 13 43.492 0.005 . 1 . . . . . 15 ARG CD . 18600 2
177 . 1 1 15 15 ARG N N 15 123.999 0.042 . 1 . . . . . 15 ARG N . 18600 2
178 . 1 1 16 16 GLU H H 1 7.861 0.008 . 1 . . . . . 16 GLU H . 18600 2
179 . 1 1 16 16 GLU HA H 1 4.552 0.003 . 1 . . . . . 16 GLU HA . 18600 2
180 . 1 1 16 16 GLU HB2 H 1 2.123 0.003 . 2 . . . . . 16 GLU HB2 . 18600 2
181 . 1 1 16 16 GLU HB3 H 1 2.544 0.004 . 2 . . . . . 16 GLU HB3 . 18600 2
182 . 1 1 16 16 GLU HG2 H 1 2.334 0.004 . 1 . . . . . 16 GLU HG2 . 18600 2
183 . 1 1 16 16 GLU HG3 H 1 2.334 0.004 . 1 . . . . . 16 GLU HG3 . 18600 2
184 . 1 1 16 16 GLU C C 13 175.745 0.02 . 1 . . . . . 16 GLU C . 18600 2
185 . 1 1 16 16 GLU CA C 13 55.920 0.069 . 1 . . . . . 16 GLU CA . 18600 2
186 . 1 1 16 16 GLU CB C 13 29.876 0.063 . 1 . . . . . 16 GLU CB . 18600 2
187 . 1 1 16 16 GLU CG C 13 37.111 0.01 . 1 . . . . . 16 GLU CG . 18600 2
188 . 1 1 16 16 GLU CD C 13 183.688 . . 1 . . . . . 16 GLU CD . 18600 2
189 . 1 1 16 16 GLU N N 15 115.988 0.061 . 1 . . . . . 16 GLU N . 18600 2
190 . 1 1 17 17 GLY H H 1 7.428 0.003 . 1 . . . . . 17 GLY H . 18600 2
191 . 1 1 17 17 GLY HA2 H 1 4.157 0.007 . 2 . . . . . 17 GLY HA2 . 18600 2
192 . 1 1 17 17 GLY HA3 H 1 3.464 0.007 . 2 . . . . . 17 GLY HA3 . 18600 2
193 . 1 1 17 17 GLY C C 13 171.756 0.046 . 1 . . . . . 17 GLY C . 18600 2
194 . 1 1 17 17 GLY CA C 13 44.176 0.066 . 1 . . . . . 17 GLY CA . 18600 2
195 . 1 1 17 17 GLY N N 15 109.787 0.049 . 1 . . . . . 17 GLY N . 18600 2
196 . 1 1 18 18 ASP H H 1 8.335 0.004 . 1 . . . . . 18 ASP H . 18600 2
197 . 1 1 18 18 ASP HA H 1 4.924 0.011 . 1 . . . . . 18 ASP HA . 18600 2
198 . 1 1 18 18 ASP HB2 H 1 2.415 0.006 . 2 . . . . . 18 ASP HB2 . 18600 2
199 . 1 1 18 18 ASP HB3 H 1 3.076 0.01 . 2 . . . . . 18 ASP HB3 . 18600 2
200 . 1 1 18 18 ASP C C 13 176.862 0.028 . 1 . . . . . 18 ASP C . 18600 2
201 . 1 1 18 18 ASP CA C 13 53.188 0.06 . 1 . . . . . 18 ASP CA . 18600 2
202 . 1 1 18 18 ASP CB C 13 42.005 0.051 . 1 . . . . . 18 ASP CB . 18600 2
203 . 1 1 18 18 ASP CG C 13 179.431 0.006 . 1 . . . . . 18 ASP CG . 18600 2
204 . 1 1 18 18 ASP N N 15 123.198 0.04 . 1 . . . . . 18 ASP N . 18600 2
205 . 1 1 19 19 TRP H H 1 8.537 0.004 . 1 . . . . . 19 TRP H . 18600 2
206 . 1 1 19 19 TRP HA H 1 4.624 0.011 . 1 . . . . . 19 TRP HA . 18600 2
207 . 1 1 19 19 TRP HB2 H 1 2.719 0.004 . 2 . . . . . 19 TRP HB2 . 18600 2
208 . 1 1 19 19 TRP HB3 H 1 3.702 0.006 . 2 . . . . . 19 TRP HB3 . 18600 2
209 . 1 1 19 19 TRP HD1 H 1 7.274 0.002 . 1 . . . . . 19 TRP HD1 . 18600 2
210 . 1 1 19 19 TRP HE1 H 1 10.187 0.01 . 1 . . . . . 19 TRP HE1 . 18600 2
211 . 1 1 19 19 TRP HE3 H 1 7.587 0.006 . 1 . . . . . 19 TRP HE3 . 18600 2
212 . 1 1 19 19 TRP HZ2 H 1 7.340 0.011 . 1 . . . . . 19 TRP HZ2 . 18600 2
213 . 1 1 19 19 TRP HZ3 H 1 7.013 0.005 . 1 . . . . . 19 TRP HZ3 . 18600 2
214 . 1 1 19 19 TRP HH2 H 1 7.061 0.004 . 1 . . . . . 19 TRP HH2 . 18600 2
215 . 1 1 19 19 TRP C C 13 177.202 0.023 . 1 . . . . . 19 TRP C . 18600 2
216 . 1 1 19 19 TRP CA C 13 58.096 0.078 . 1 . . . . . 19 TRP CA . 18600 2
217 . 1 1 19 19 TRP CB C 13 30.275 0.056 . 1 . . . . . 19 TRP CB . 18600 2
218 . 1 1 19 19 TRP CD1 C 13 127.018 . . 1 . . . . . 19 TRP CD1 . 18600 2
219 . 1 1 19 19 TRP CE3 C 13 120.857 . . 1 . . . . . 19 TRP CE3 . 18600 2
220 . 1 1 19 19 TRP CZ2 C 13 113.988 . . 1 . . . . . 19 TRP CZ2 . 18600 2
221 . 1 1 19 19 TRP CZ3 C 13 121.757 . . 1 . . . . . 19 TRP CZ3 . 18600 2
222 . 1 1 19 19 TRP CH2 C 13 124.042 . . 1 . . . . . 19 TRP CH2 . 18600 2
223 . 1 1 19 19 TRP N N 15 127.224 0.057 . 1 . . . . . 19 TRP N . 18600 2
224 . 1 1 19 19 TRP NE1 N 15 128.872 . . 1 . . . . . 19 TRP NE1 . 18600 2
225 . 1 1 20 20 CYS H H 1 9.424 0.005 . 1 . . . . . 20 CYS H . 18600 2
226 . 1 1 20 20 CYS HA H 1 4.844 0.006 . 1 . . . . . 20 CYS HA . 18600 2
227 . 1 1 20 20 CYS HB2 H 1 2.940 0.004 . 2 . . . . . 20 CYS HB2 . 18600 2
228 . 1 1 20 20 CYS HB3 H 1 3.144 0.006 . 2 . . . . . 20 CYS HB3 . 18600 2
229 . 1 1 20 20 CYS C C 13 175.412 0.032 . 1 . . . . . 20 CYS C . 18600 2
230 . 1 1 20 20 CYS CA C 13 57.220 0.047 . 1 . . . . . 20 CYS CA . 18600 2
231 . 1 1 20 20 CYS CB C 13 37.817 0.052 . 1 . . . . . 20 CYS CB . 18600 2
232 . 1 1 20 20 CYS N N 15 120.139 0.08 . 1 . . . . . 20 CYS N . 18600 2
233 . 1 1 21 21 CYS H H 1 9.604 0.005 . 1 . . . . . 21 CYS H . 18600 2
234 . 1 1 21 21 CYS HA H 1 4.488 0.002 . 1 . . . . . 21 CYS HA . 18600 2
235 . 1 1 21 21 CYS HB2 H 1 3.055 0.005 . 2 . . . . . 21 CYS HB2 . 18600 2
236 . 1 1 21 21 CYS HB3 H 1 2.868 0.005 . 2 . . . . . 21 CYS HB3 . 18600 2
237 . 1 1 21 21 CYS C C 13 175.930 0.045 . 1 . . . . . 21 CYS C . 18600 2
238 . 1 1 21 21 CYS CA C 13 56.705 0.051 . 1 . . . . . 21 CYS CA . 18600 2
239 . 1 1 21 21 CYS CB C 13 38.303 0.074 . 1 . . . . . 21 CYS CB . 18600 2
240 . 1 1 21 21 CYS N N 15 122.463 0.054 . 1 . . . . . 21 CYS N . 18600 2
241 . 1 1 22 22 HIS H H 1 8.828 0.005 . 1 . . . . . 22 HIS H . 18600 2
242 . 1 1 22 22 HIS HA H 1 4.569 0.004 . 1 . . . . . 22 HIS HA . 18600 2
243 . 1 1 22 22 HIS HB2 H 1 3.532 0.006 . 2 . . . . . 22 HIS HB2 . 18600 2
244 . 1 1 22 22 HIS HB3 H 1 2.658 0.006 . 2 . . . . . 22 HIS HB3 . 18600 2
245 . 1 1 22 22 HIS HD2 H 1 7.076 0.006 . 1 . . . . . 22 HIS HD2 . 18600 2
246 . 1 1 22 22 HIS HE1 H 1 7.845 0.006 . 1 . . . . . 22 HIS HE1 . 18600 2
247 . 1 1 22 22 HIS C C 13 173.150 0.02 . 1 . . . . . 22 HIS C . 18600 2
248 . 1 1 22 22 HIS CA C 13 57.619 0.05 . 1 . . . . . 22 HIS CA . 18600 2
249 . 1 1 22 22 HIS CB C 13 29.271 0.06 . 1 . . . . . 22 HIS CB . 18600 2
250 . 1 1 22 22 HIS CD2 C 13 116.920 . . 1 . . . . . 22 HIS CD2 . 18600 2
251 . 1 1 22 22 HIS CE1 C 13 137.984 . . 1 . . . . . 22 HIS CE1 . 18600 2
252 . 1 1 22 22 HIS N N 15 122.139 0.065 . 1 . . . . . 22 HIS N . 18600 2
253 . 1 1 23 23 LYS H H 1 8.197 0.002 . 1 . . . . . 23 LYS H . 18600 2
254 . 1 1 23 23 LYS HA H 1 5.015 0.005 . 1 . . . . . 23 LYS HA . 18600 2
255 . 1 1 23 23 LYS HB2 H 1 1.888 0.002 . 2 . . . . . 23 LYS HB2 . 18600 2
256 . 1 1 23 23 LYS HB3 H 1 1.839 0.004 . 2 . . . . . 23 LYS HB3 . 18600 2
257 . 1 1 23 23 LYS HG2 H 1 1.414 0.004 . 2 . . . . . 23 LYS HG2 . 18600 2
258 . 1 1 23 23 LYS HG3 H 1 1.545 0.003 . 2 . . . . . 23 LYS HG3 . 18600 2
259 . 1 1 23 23 LYS HD2 H 1 1.737 0.003 . 1 . . . . . 23 LYS HD2 . 18600 2
260 . 1 1 23 23 LYS HD3 H 1 1.737 0.003 . 1 . . . . . 23 LYS HD3 . 18600 2
261 . 1 1 23 23 LYS HE2 H 1 3.114 0.005 . 1 . . . . . 23 LYS HE2 . 18600 2
262 . 1 1 23 23 LYS HE3 H 1 3.114 0.005 . 1 . . . . . 23 LYS HE3 . 18600 2
263 . 1 1 23 23 LYS C C 13 173.481 0.029 . 1 . . . . . 23 LYS C . 18600 2
264 . 1 1 23 23 LYS CA C 13 55.176 0.04 . 1 . . . . . 23 LYS CA . 18600 2
265 . 1 1 23 23 LYS CB C 13 36.787 0.041 . 1 . . . . . 23 LYS CB . 18600 2
266 . 1 1 23 23 LYS CG C 13 25.107 0.028 . 1 . . . . . 23 LYS CG . 18600 2
267 . 1 1 23 23 LYS CD C 13 29.396 0.054 . 1 . . . . . 23 LYS CD . 18600 2
268 . 1 1 23 23 LYS CE C 13 42.345 0.067 . 1 . . . . . 23 LYS CE . 18600 2
269 . 1 1 23 23 LYS N N 15 121.766 0.062 . 1 . . . . . 23 LYS N . 18600 2
270 . 1 1 24 24 CYS H H 1 10.485 0.006 . 1 . . . . . 24 CYS H . 18600 2
271 . 1 1 24 24 CYS HA H 1 5.098 0.005 . 1 . . . . . 24 CYS HA . 18600 2
272 . 1 1 24 24 CYS HB2 H 1 2.705 0.002 . 2 . . . . . 24 CYS HB2 . 18600 2
273 . 1 1 24 24 CYS HB3 H 1 3.887 0.005 . 2 . . . . . 24 CYS HB3 . 18600 2
274 . 1 1 24 24 CYS C C 13 174.792 0.016 . 1 . . . . . 24 CYS C . 18600 2
275 . 1 1 24 24 CYS CA C 13 56.421 0.055 . 1 . . . . . 24 CYS CA . 18600 2
276 . 1 1 24 24 CYS CB C 13 38.796 0.026 . 1 . . . . . 24 CYS CB . 18600 2
277 . 1 1 24 24 CYS N N 15 129.392 0.047 . 1 . . . . . 24 CYS N . 18600 2
278 . 1 1 25 25 VAL H H 1 9.506 0.004 . 1 . . . . . 25 VAL H . 18600 2
279 . 1 1 25 25 VAL HA H 1 5.146 0.002 . 1 . . . . . 25 VAL HA . 18600 2
280 . 1 1 25 25 VAL HB H 1 2.395 0.003 . 1 . . . . . 25 VAL HB . 18600 2
281 . 1 1 25 25 VAL HG11 H 1 1.100 0.005 . 2 . . . . . 25 VAL HG11 . 18600 2
282 . 1 1 25 25 VAL HG12 H 1 1.100 0.005 . 2 . . . . . 25 VAL HG12 . 18600 2
283 . 1 1 25 25 VAL HG13 H 1 1.100 0.005 . 2 . . . . . 25 VAL HG13 . 18600 2
284 . 1 1 25 25 VAL HG21 H 1 1.101 0.003 . 2 . . . . . 25 VAL HG21 . 18600 2
285 . 1 1 25 25 VAL HG22 H 1 1.101 0.003 . 2 . . . . . 25 VAL HG22 . 18600 2
286 . 1 1 25 25 VAL HG23 H 1 1.101 0.003 . 2 . . . . . 25 VAL HG23 . 18600 2
287 . 1 1 25 25 VAL C C 13 173.625 0.016 . 1 . . . . . 25 VAL C . 18600 2
288 . 1 1 25 25 VAL CA C 13 58.791 0.027 . 1 . . . . . 25 VAL CA . 18600 2
289 . 1 1 25 25 VAL CB C 13 34.219 0.009 . 1 . . . . . 25 VAL CB . 18600 2
290 . 1 1 25 25 VAL CG1 C 13 20.685 . . 2 . . . . . 25 VAL CG1 . 18600 2
291 . 1 1 25 25 VAL CG2 C 13 21.218 . . 2 . . . . . 25 VAL CG2 . 18600 2
292 . 1 1 25 25 VAL N N 15 127.664 0.054 . 1 . . . . . 25 VAL N . 18600 2
293 . 1 1 26 26 PRO HA H 1 4.592 0.003 . 1 . . . . . 26 PRO HA . 18600 2
294 . 1 1 26 26 PRO HB2 H 1 1.918 0.004 . 2 . . . . . 26 PRO HB2 . 18600 2
295 . 1 1 26 26 PRO HB3 H 1 2.061 0.005 . 2 . . . . . 26 PRO HB3 . 18600 2
296 . 1 1 26 26 PRO HG2 H 1 2.255 0.003 . 2 . . . . . 26 PRO HG2 . 18600 2
297 . 1 1 26 26 PRO HG3 H 1 2.381 0.005 . 2 . . . . . 26 PRO HG3 . 18600 2
298 . 1 1 26 26 PRO HD2 H 1 4.047 0.005 . 2 . . . . . 26 PRO HD2 . 18600 2
299 . 1 1 26 26 PRO HD3 H 1 4.091 0.002 . 2 . . . . . 26 PRO HD3 . 18600 2
300 . 1 1 26 26 PRO C C 13 177.520 0.023 . 1 . . . . . 26 PRO C . 18600 2
301 . 1 1 26 26 PRO CA C 13 62.384 0.015 . 1 . . . . . 26 PRO CA . 18600 2
302 . 1 1 26 26 PRO CB C 13 32.173 0.049 . 1 . . . . . 26 PRO CB . 18600 2
303 . 1 1 26 26 PRO CG C 13 27.430 0.025 . 1 . . . . . 26 PRO CG . 18600 2
304 . 1 1 26 26 PRO CD C 13 51.163 0.018 . 1 . . . . . 26 PRO CD . 18600 2
305 . 1 1 27 27 GLU H H 1 8.530 0.005 . 1 . . . . . 27 GLU H . 18600 2
306 . 1 1 27 27 GLU HA H 1 4.488 0.005 . 1 . . . . . 27 GLU HA . 18600 2
307 . 1 1 27 27 GLU HB2 H 1 2.074 0.008 . 2 . . . . . 27 GLU HB2 . 18600 2
308 . 1 1 27 27 GLU HB3 H 1 1.984 0.005 . 2 . . . . . 27 GLU HB3 . 18600 2
309 . 1 1 27 27 GLU HG2 H 1 2.262 0.002 . 2 . . . . . 27 GLU HG2 . 18600 2
310 . 1 1 27 27 GLU HG3 H 1 2.371 0.004 . 2 . . . . . 27 GLU HG3 . 18600 2
311 . 1 1 27 27 GLU C C 13 176.316 0.028 . 1 . . . . . 27 GLU C . 18600 2
312 . 1 1 27 27 GLU CA C 13 55.848 0.082 . 1 . . . . . 27 GLU CA . 18600 2
313 . 1 1 27 27 GLU CB C 13 31.546 0.016 . 1 . . . . . 27 GLU CB . 18600 2
314 . 1 1 27 27 GLU CG C 13 36.282 0.018 . 1 . . . . . 27 GLU CG . 18600 2
315 . 1 1 27 27 GLU N N 15 124.293 0.034 . 1 . . . . . 27 GLU N . 18600 2
316 . 1 1 28 28 GLY H H 1 8.944 0.006 . 1 . . . . . 28 GLY H . 18600 2
317 . 1 1 28 28 GLY HA2 H 1 3.757 0.006 . 2 . . . . . 28 GLY HA2 . 18600 2
318 . 1 1 28 28 GLY HA3 H 1 4.109 0.006 . 2 . . . . . 28 GLY HA3 . 18600 2
319 . 1 1 28 28 GLY C C 13 175.561 0.021 . 1 . . . . . 28 GLY C . 18600 2
320 . 1 1 28 28 GLY CA C 13 46.949 0.067 . 1 . . . . . 28 GLY CA . 18600 2
321 . 1 1 28 28 GLY N N 15 116.296 0.062 . 1 . . . . . 28 GLY N . 18600 2
322 . 1 1 29 29 LYS H H 1 9.033 0.005 . 1 . . . . . 29 LYS H . 18600 2
323 . 1 1 29 29 LYS HA H 1 4.385 0.004 . 1 . . . . . 29 LYS HA . 18600 2
324 . 1 1 29 29 LYS HB2 H 1 2.171 0.003 . 2 . . . . . 29 LYS HB2 . 18600 2
325 . 1 1 29 29 LYS HB3 H 1 1.815 0.002 . 2 . . . . . 29 LYS HB3 . 18600 2
326 . 1 1 29 29 LYS HG2 H 1 1.568 0.004 . 1 . . . . . 29 LYS HG2 . 18600 2
327 . 1 1 29 29 LYS HG3 H 1 1.568 0.004 . 1 . . . . . 29 LYS HG3 . 18600 2
328 . 1 1 29 29 LYS HD2 H 1 1.774 0.002 . 1 . . . . . 29 LYS HD2 . 18600 2
329 . 1 1 29 29 LYS HD3 H 1 1.774 0.002 . 1 . . . . . 29 LYS HD3 . 18600 2
330 . 1 1 29 29 LYS HE2 H 1 3.109 0.001 . 1 . . . . . 29 LYS HE2 . 18600 2
331 . 1 1 29 29 LYS HE3 H 1 3.109 0.001 . 1 . . . . . 29 LYS HE3 . 18600 2
332 . 1 1 29 29 LYS C C 13 175.607 0.01 . 1 . . . . . 29 LYS C . 18600 2
333 . 1 1 29 29 LYS CA C 13 56.288 0.009 . 1 . . . . . 29 LYS CA . 18600 2
334 . 1 1 29 29 LYS CB C 13 32.341 0.053 . 1 . . . . . 29 LYS CB . 18600 2
335 . 1 1 29 29 LYS CG C 13 25.076 0.052 . 1 . . . . . 29 LYS CG . 18600 2
336 . 1 1 29 29 LYS CD C 13 28.993 0.013 . 1 . . . . . 29 LYS CD . 18600 2
337 . 1 1 29 29 LYS CE C 13 42.258 0.024 . 1 . . . . . 29 LYS CE . 18600 2
338 . 1 1 29 29 LYS N N 15 126.284 0.025 . 1 . . . . . 29 LYS N . 18600 2
339 . 1 1 30 30 ARG H H 1 7.713 0.003 . 1 . . . . . 30 ARG H . 18600 2
340 . 1 1 30 30 ARG HA H 1 4.637 0.002 . 1 . . . . . 30 ARG HA . 18600 2
341 . 1 1 30 30 ARG HB2 H 1 1.877 0.003 . 2 . . . . . 30 ARG HB2 . 18600 2
342 . 1 1 30 30 ARG HB3 H 1 1.988 0.004 . 2 . . . . . 30 ARG HB3 . 18600 2
343 . 1 1 30 30 ARG HG2 H 1 1.772 0.003 . 2 . . . . . 30 ARG HG2 . 18600 2
344 . 1 1 30 30 ARG HG3 H 1 1.727 0.002 . 2 . . . . . 30 ARG HG3 . 18600 2
345 . 1 1 30 30 ARG HD2 H 1 3.281 0.003 . 2 . . . . . 30 ARG HD2 . 18600 2
346 . 1 1 30 30 ARG HD3 H 1 3.358 0.01 . 2 . . . . . 30 ARG HD3 . 18600 2
347 . 1 1 30 30 ARG C C 13 173.379 0.011 . 1 . . . . . 30 ARG C . 18600 2
348 . 1 1 30 30 ARG CA C 13 54.368 0.036 . 1 . . . . . 30 ARG CA . 18600 2
349 . 1 1 30 30 ARG CB C 13 33.975 0.043 . 1 . . . . . 30 ARG CB . 18600 2
350 . 1 1 30 30 ARG CG C 13 27.787 0.014 . 1 . . . . . 30 ARG CG . 18600 2
351 . 1 1 30 30 ARG CD C 13 43.823 0.021 . 1 . . . . . 30 ARG CD . 18600 2
352 . 1 1 30 30 ARG N N 15 119.122 0.062 . 1 . . . . . 30 ARG N . 18600 2
353 . 1 1 31 31 PHE H H 1 7.951 0.004 . 1 . . . . . 31 PHE H . 18600 2
354 . 1 1 31 31 PHE HA H 1 5.348 0.004 . 1 . . . . . 31 PHE HA . 18600 2
355 . 1 1 31 31 PHE HB2 H 1 3.254 0.004 . 2 . . . . . 31 PHE HB2 . 18600 2
356 . 1 1 31 31 PHE HB3 H 1 3.132 0.003 . 2 . . . . . 31 PHE HB3 . 18600 2
357 . 1 1 31 31 PHE HD1 H 1 7.069 0.006 . 3 . . . . . 31 PHE HD1 . 18600 2
358 . 1 1 31 31 PHE HD2 H 1 7.069 0.006 . 3 . . . . . 31 PHE HD2 . 18600 2
359 . 1 1 31 31 PHE HE1 H 1 7.435 0.003 . 3 . . . . . 31 PHE HE1 . 18600 2
360 . 1 1 31 31 PHE HE2 H 1 7.435 0.003 . 3 . . . . . 31 PHE HE2 . 18600 2
361 . 1 1 31 31 PHE HZ H 1 7.333 0.005 . 1 . . . . . 31 PHE HZ . 18600 2
362 . 1 1 31 31 PHE C C 13 175.136 0.019 . 1 . . . . . 31 PHE C . 18600 2
363 . 1 1 31 31 PHE CA C 13 57.202 0.049 . 1 . . . . . 31 PHE CA . 18600 2
364 . 1 1 31 31 PHE CB C 13 42.229 0.034 . 1 . . . . . 31 PHE CB . 18600 2
365 . 1 1 31 31 PHE CD1 C 13 132.148 . . 3 . . . . . 31 PHE CD1 . 18600 2
366 . 1 1 31 31 PHE CD2 C 13 132.148 . . 3 . . . . . 31 PHE CD2 . 18600 2
367 . 1 1 31 31 PHE CE1 C 13 131.099 . . 3 . . . . . 31 PHE CE1 . 18600 2
368 . 1 1 31 31 PHE CE2 C 13 131.099 . . 3 . . . . . 31 PHE CE2 . 18600 2
369 . 1 1 31 31 PHE CZ C 13 129.500 . . 1 . . . . . 31 PHE CZ . 18600 2
370 . 1 1 31 31 PHE N N 15 119.240 0.046 . 1 . . . . . 31 PHE N . 18600 2
371 . 1 1 32 32 TYR H H 1 9.088 0.005 . 1 . . . . . 32 TYR H . 18600 2
372 . 1 1 32 32 TYR HA H 1 5.218 0.007 . 1 . . . . . 32 TYR HA . 18600 2
373 . 1 1 32 32 TYR HB2 H 1 2.718 0.005 . 2 . . . . . 32 TYR HB2 . 18600 2
374 . 1 1 32 32 TYR HB3 H 1 2.558 0.006 . 2 . . . . . 32 TYR HB3 . 18600 2
375 . 1 1 32 32 TYR HD1 H 1 6.955 0.003 . 3 . . . . . 32 TYR HD1 . 18600 2
376 . 1 1 32 32 TYR HD2 H 1 6.955 0.003 . 3 . . . . . 32 TYR HD2 . 18600 2
377 . 1 1 32 32 TYR HE1 H 1 6.852 0.007 . 3 . . . . . 32 TYR HE1 . 18600 2
378 . 1 1 32 32 TYR HE2 H 1 6.852 0.007 . 3 . . . . . 32 TYR HE2 . 18600 2
379 . 1 1 32 32 TYR C C 13 175.786 0.016 . 1 . . . . . 32 TYR C . 18600 2
380 . 1 1 32 32 TYR CA C 13 57.327 0.046 . 1 . . . . . 32 TYR CA . 18600 2
381 . 1 1 32 32 TYR CB C 13 44.394 0.031 . 1 . . . . . 32 TYR CB . 18600 2
382 . 1 1 32 32 TYR CD1 C 13 133.367 . . 3 . . . . . 32 TYR CD1 . 18600 2
383 . 1 1 32 32 TYR CD2 C 13 133.367 . . 3 . . . . . 32 TYR CD2 . 18600 2
384 . 1 1 32 32 TYR CE1 C 13 117.781 0.008 . 3 . . . . . 32 TYR CE1 . 18600 2
385 . 1 1 32 32 TYR CE2 C 13 117.781 0.008 . 3 . . . . . 32 TYR CE2 . 18600 2
386 . 1 1 32 32 TYR N N 15 119.922 0.052 . 1 . . . . . 32 TYR N . 18600 2
387 . 1 1 33 33 CYS H H 1 8.959 0.005 . 1 . . . . . 33 CYS H . 18600 2
388 . 1 1 33 33 CYS HA H 1 5.717 0.007 . 1 . . . . . 33 CYS HA . 18600 2
389 . 1 1 33 33 CYS HB2 H 1 3.963 0.005 . 2 . . . . . 33 CYS HB2 . 18600 2
390 . 1 1 33 33 CYS HB3 H 1 3.104 0.003 . 2 . . . . . 33 CYS HB3 . 18600 2
391 . 1 1 33 33 CYS C C 13 176.054 0.01 . 1 . . . . . 33 CYS C . 18600 2
392 . 1 1 33 33 CYS CA C 13 52.811 0.063 . 1 . . . . . 33 CYS CA . 18600 2
393 . 1 1 33 33 CYS CB C 13 37.448 0.01 . 1 . . . . . 33 CYS CB . 18600 2
394 . 1 1 33 33 CYS N N 15 119.789 0.058 . 1 . . . . . 33 CYS N . 18600 2
395 . 1 1 34 34 ARG H H 1 10.103 0.005 . 1 . . . . . 34 ARG H . 18600 2
396 . 1 1 34 34 ARG HA H 1 4.821 0.004 . 1 . . . . . 34 ARG HA . 18600 2
397 . 1 1 34 34 ARG HB2 H 1 2.000 0.004 . 2 . . . . . 34 ARG HB2 . 18600 2
398 . 1 1 34 34 ARG HB3 H 1 1.825 0.004 . 2 . . . . . 34 ARG HB3 . 18600 2
399 . 1 1 34 34 ARG HG2 H 1 1.765 0.002 . 2 . . . . . 34 ARG HG2 . 18600 2
400 . 1 1 34 34 ARG HG3 H 1 1.691 0.004 . 2 . . . . . 34 ARG HG3 . 18600 2
401 . 1 1 34 34 ARG HD2 H 1 3.042 0.005 . 2 . . . . . 34 ARG HD2 . 18600 2
402 . 1 1 34 34 ARG HD3 H 1 3.611 0.002 . 2 . . . . . 34 ARG HD3 . 18600 2
403 . 1 1 34 34 ARG HE H 1 8.314 0.008 . 1 . . . . . 34 ARG HE . 18600 2
404 . 1 1 34 34 ARG C C 13 174.783 0.033 . 1 . . . . . 34 ARG C . 18600 2
405 . 1 1 34 34 ARG CA C 13 53.275 0.038 . 1 . . . . . 34 ARG CA . 18600 2
406 . 1 1 34 34 ARG CB C 13 35.311 0.019 . 1 . . . . . 34 ARG CB . 18600 2
407 . 1 1 34 34 ARG CG C 13 26.376 0.029 . 1 . . . . . 34 ARG CG . 18600 2
408 . 1 1 34 34 ARG CD C 13 43.260 0.022 . 1 . . . . . 34 ARG CD . 18600 2
409 . 1 1 34 34 ARG CZ C 13 159.365 . . 1 . . . . . 34 ARG CZ . 18600 2
410 . 1 1 34 34 ARG N N 15 124.640 0.045 . 1 . . . . . 34 ARG N . 18600 2
411 . 1 1 34 34 ARG NE N 15 87.052 0.033 . 1 . . . . . 34 ARG NE . 18600 2
412 . 1 1 35 35 ASP H H 1 8.622 0.004 . 1 . . . . . 35 ASP H . 18600 2
413 . 1 1 35 35 ASP HA H 1 4.900 0.006 . 1 . . . . . 35 ASP HA . 18600 2
414 . 1 1 35 35 ASP HB2 H 1 2.296 0.012 . 2 . . . . . 35 ASP HB2 . 18600 2
415 . 1 1 35 35 ASP HB3 H 1 2.763 0.01 . 2 . . . . . 35 ASP HB3 . 18600 2
416 . 1 1 35 35 ASP C C 13 174.928 0.027 . 1 . . . . . 35 ASP C . 18600 2
417 . 1 1 35 35 ASP CA C 13 53.001 0.053 . 1 . . . . . 35 ASP CA . 18600 2
418 . 1 1 35 35 ASP CB C 13 39.585 0.057 . 1 . . . . . 35 ASP CB . 18600 2
419 . 1 1 35 35 ASP CG C 13 179.957 0.013 . 1 . . . . . 35 ASP CG . 18600 2
420 . 1 1 35 35 ASP N N 15 120.369 0.051 . 1 . . . . . 35 ASP N . 18600 2
421 . 1 1 36 36 GLN H H 1 7.539 0.003 . 1 . . . . . 36 GLN H . 18600 2
422 . 1 1 36 36 GLN HA H 1 4.334 0.003 . 1 . . . . . 36 GLN HA . 18600 2
423 . 1 1 36 36 GLN HB2 H 1 1.801 0.012 . 2 . . . . . 36 GLN HB2 . 18600 2
424 . 1 1 36 36 GLN HB3 H 1 2.290 0.002 . 2 . . . . . 36 GLN HB3 . 18600 2
425 . 1 1 36 36 GLN HG2 H 1 2.241 0.002 . 2 . . . . . 36 GLN HG2 . 18600 2
426 . 1 1 36 36 GLN HG3 H 1 2.389 0.003 . 2 . . . . . 36 GLN HG3 . 18600 2
427 . 1 1 36 36 GLN HE21 H 1 6.942 0.009 . 1 . . . . . 36 GLN HE21 . 18600 2
428 . 1 1 36 36 GLN HE22 H 1 7.567 0.003 . 1 . . . . . 36 GLN HE22 . 18600 2
429 . 1 1 36 36 GLN C C 13 179.589 0.055 . 1 . . . . . 36 GLN C . 18600 2
430 . 1 1 36 36 GLN CA C 13 56.370 0.035 . 1 . . . . . 36 GLN CA . 18600 2
431 . 1 1 36 36 GLN CB C 13 32.094 0.044 . 1 . . . . . 36 GLN CB . 18600 2
432 . 1 1 36 36 GLN CG C 13 34.440 0.049 . 1 . . . . . 36 GLN CG . 18600 2
433 . 1 1 36 36 GLN CD C 13 180.580 0.001 . 1 . . . . . 36 GLN CD . 18600 2
434 . 1 1 36 36 GLN N N 15 126.246 0.069 . 1 . . . . . 36 GLN N . 18600 2
435 . 1 1 36 36 GLN NE2 N 15 111.370 0.072 . 1 . . . . . 36 GLN NE2 . 18600 2
stop_
save_